5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide

C22H24N2O3S2 — CID 24613765

IUPAC5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCc1ccc(C(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c2cccs2)cc1
InChIInChI=1S/C22H24N2O3S2/c1-15-7-10-17(11-8-15)21(20-6-5-13-28-20)23-22(25)19-14-18(12-9-16(19)2)29(26,27)24(3)4/h5-14,21H,1-4H3,(H,23,25)
InChIKeyHATDASLWILJTCM-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.13
Rot. Bonds6

About 5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide

5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide (PubChem CID 24613765) has the molecular formula C22H24N2O3S2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
PubChem CID24613765
Molecular FormulaC22H24N2O3S2
Molecular Weight428.58 g/mol
Exact Mass428.12
IUPAC Name5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
SMILESCc1ccc(C(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c2cccs2)cc1
InChIInChI=1S/C22H24N2O3S2/c1-15-7-10-17(11-8-15)21(20-6-5-13-28-20)23-22(25)19-14-18(12-9-16(19)2)29(26,27)24(3)4/h5-14,21H,1-4H3,(H,23,25)
InChIKeyHATDASLWILJTCM-UHFFFAOYSA-N
XLogP4.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853824
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 25388249
2-methyl-5-methylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 51072491
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905
3,5-dimethoxy-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide
CID 17488923
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8503225
2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide
CID 25393397
N-benzhydryl-2-methyl-5-methylsulfonylbenzamide
CID 27254371
N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide
CID 24613812
5-(dimethylsulfamoyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18170670
5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41198961
3-[[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]carbamoyl]-N,N,4-trimethylbenzenesulfonamide
CID 22108686

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide (CID 24613765) is 5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide is Cc1ccc(C(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c2cccs2)cc1.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide?
The InChIKey is HATDASLWILJTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S2/c1-15-7-10-17(11-8-15)21(20-6-5-13-28-20)23-22(25)19-14-18(12-9-16(19)2)29(26,27)24(3)4/h5-14,21H,1-4H3,(H,23,25).
What are the key properties of 5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide?
5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-methyl-N-[(4-methylphenyl)-thiophen-2-ylmethyl]benzamide is sourced from PubChem (CID 24613765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).